N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

C18H20N2O5 — CID 54679671

IUPACN-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC2CC2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C18H20N2O5/c1-4-7-20-12-9-14(25-3)13(24-2)8-11(12)16(21)15(18(20)23)17(22)19-10-5-6-10/h4,8-10,21H,1,5-7H2,2-3H3,(H,19,22)
InChIKeyJJAGKKKEVZVSRD-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.80
Rot. Bonds6

About N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide

N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (PubChem CID 54679671) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
PubChem CID54679671
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
SMILESC=CCn1c(=O)c(C(=O)NC2CC2)c(O)c2cc(OC)c(OC)cc21
InChIInChI=1S/C18H20N2O5/c1-4-7-20-12-9-14(25-3)13(24-2)8-11(12)16(21)15(18(20)23)17(22)19-10-5-6-10/h4,8-10,21H,1,5-7H2,2-3H3,(H,19,22)
InChIKeyJJAGKKKEVZVSRD-UHFFFAOYSA-N
XLogP1.80
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679672
2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carbonyl)amino]ethyl-dimethylazanium
CID 54693303
N-[2-(dimethylamino)ethyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide;hydrochloride
CID 54735632
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54693300
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 71506124
N-[(4-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54679686
disodium bis(3-carboxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinolin-4-olate)
CID 70611924
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 135632207
N-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54680049
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
3-(4-chlorophenyl)-6,7-dimethoxy-1-prop-2-enylquinazoline-2,4-dione
CID 17197956
N-(2-chloroethyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54684051

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide (CID 54679671) is N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is C=CCn1c(=O)c(C(=O)NC2CC2)c(O)c2cc(OC)c(OC)cc21.
What is the InChIKey of N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
The InChIKey is JJAGKKKEVZVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-7-20-12-9-14(25-3)13(24-2)8-11(12)16(21)15(18(20)23)17(22)19-10-5-6-10/h4,8-10,21H,1,5-7H2,2-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide?
N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-hydroxy-6,7-dimethoxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 54679671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).